3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide

C13H18N6O3S — CID 119035617

IUPAC3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCCCc1nnc(NC(=O)N2CCC(O)(c3nc(C)no3)C2)s1
InChIInChI=1S/C13H18N6O3S/c1-3-4-9-16-17-11(23-9)15-12(20)19-6-5-13(21,7-19)10-14-8(2)18-22-10/h21H,3-7H2,1-2H3,(H,15,17,20)
InChIKeyBTMUXEXBDXRLAZ-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.31
Rot. Bonds4

About 3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide

3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 119035617) has the molecular formula C13H18N6O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID119035617
Molecular FormulaC13H18N6O3S
Molecular Weight338.39 g/mol
Exact Mass338.12
IUPAC Name3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCCCc1nnc(NC(=O)N2CCC(O)(c3nc(C)no3)C2)s1
InChIInChI=1S/C13H18N6O3S/c1-3-4-9-16-17-11(23-9)15-12(20)19-6-5-13(21,7-19)10-14-8(2)18-22-10/h21H,3-7H2,1-2H3,(H,15,17,20)
InChIKeyBTMUXEXBDXRLAZ-UHFFFAOYSA-N
XLogP1.31
TPSA117.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylphenyl)pyrrolidine-1-carboxamide
CID 100644680
1-hydroxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 110907147
7-acetyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-oxa-7,10-diazaspiro[5.6]dodecane-10-carboxamide
CID 167854061
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45250995
[(3S)-1-cyclohexylpyrrolidin-3-yl]-[(3R)-3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 124889969
(3aR,6aR)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxamide
CID 99778298
1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074085
2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19189341
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
[3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 167862030
2-hydroxy-1-[(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95841858
4-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 154866590

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide (CID 119035617) is 3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide is CCCc1nnc(NC(=O)N2CCC(O)(c3nc(C)no3)C2)s1.
What is the InChIKey of 3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is BTMUXEXBDXRLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3S/c1-3-4-9-16-17-11(23-9)15-12(20)19-6-5-13(21,7-19)10-14-8(2)18-22-10/h21H,3-7H2,1-2H3,(H,15,17,20).
What are the key properties of 3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 119035617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).